Geometry & MOs

Info

ID:	166641
PubChem CID:	74719848
Reduced:	FN4O5H24C26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	504.107003
ΔH_f, kcal/mol:	-169.46
Dipole, Da:	1.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788708
Charge, e:	-1

Chem-info

IUPAC name:

11-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C([N+](=C2C(=C1)C(=O)N3C=CC=CC3=N2)CC4CCCO4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations